cyanamide;1-ethylpyridin-1-ium

C9H14N5+ — CID 118237262

IUPACcyanamide;1-ethylpyridin-1-ium
SMILESCC[n+]1ccccc1.N#CN.N#CN
InChIInChI=1S/C7H10N.2CH2N2/c1-2-8-6-4-3-5-7-8;2*2-1-3/h3-7H,2H2,1H3;2*2H2/q+1;;
InChIKeyKYKNBNLXFFPMCG-UHFFFAOYSA-N
MW192.25 g/mol
LogP-0.15
Rot. Bonds1

About cyanamide;1-ethylpyridin-1-ium

cyanamide;1-ethylpyridin-1-ium (PubChem CID 118237262) has the molecular formula C9H14N5+ and a molecular weight of 192.25 g/mol. Its IUPAC name is cyanamide;1-ethylpyridin-1-ium.

Molecular Properties

Compound Namecyanamide;1-ethylpyridin-1-ium
PubChem CID118237262
Molecular FormulaC9H14N5+
Molecular Weight192.25 g/mol
Exact Mass192.12
IUPAC Namecyanamide;1-ethylpyridin-1-ium
SMILESCC[n+]1ccccc1.N#CN.N#CN
InChIInChI=1S/C7H10N.2CH2N2/c1-2-8-6-4-3-5-7-8;2*2-1-3/h3-7H,2H2,1H3;2*2H2/q+1;;
InChIKeyKYKNBNLXFFPMCG-UHFFFAOYSA-N
XLogP-0.15
TPSA103.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyanamide;1-ethylpyridin-1-ium?
The IUPAC name of cyanamide;1-ethylpyridin-1-ium (CID 118237262) is cyanamide;1-ethylpyridin-1-ium.
What is the SMILES notation for cyanamide;1-ethylpyridin-1-ium?
The canonical SMILES for cyanamide;1-ethylpyridin-1-ium is CC[n+]1ccccc1.N#CN.N#CN.
What is the InChIKey of cyanamide;1-ethylpyridin-1-ium?
The InChIKey is KYKNBNLXFFPMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.2CH2N2/c1-2-8-6-4-3-5-7-8;2*2-1-3/h3-7H,2H2,1H3;2*2H2/q+1;;.
What are the key properties of cyanamide;1-ethylpyridin-1-ium?
cyanamide;1-ethylpyridin-1-ium has a molecular weight of 192.25 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;1-ethylpyridin-1-ium is sourced from PubChem (CID 118237262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).